Methyl 2-bromooctanoate

Base Information

Chemical Name:Methyl 2-bromooctanoate
CAS No.:5445-22-7
Deprecated CAS:135339-61-6
Molecular Formula:C9H17BrO2
Molecular Weight:237.137
Hs Code.:2915900090
European Community (EC) Number:226-644-4
NSC Number:21981
DSSTox Substance ID:DTXSID00884160
Nikkaji Number:J210.484I
Mol file:5445-22-7.mol

Synonyms:Methyl 2-bromooctanoate;5445-22-7;Octanoic acid, 2-bromo-, methyl ester;EINECS 226-644-4;NSC 21981;Methyl2-bromooctanoate;2-Bromocaprylic methyl ester 10g;SCHEMBL2817825;DTXSID00884160;2-Bromooctanoic acid methyl ester;NSC21981;AC8734;MFCD00800218;NSC-21981;AKOS016009491;AS-58026;SY108333;FT-0628434;EN300-7866190

Suppliers and Price of Methyl 2-bromooctanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
METHYL 2-BROMOOCTANOATE 95.00%
5MG
$ 495.92

AK Scientific
Methyl2-bromooctanoate
100g
$ 222.00

Total 73 raw suppliers

Chemical Property of Methyl 2-bromooctanoate

Chemical Property:

Vapor Pressure:0.0763mmHg at 25°C
Refractive Index:1.46
Boiling Point:227.7 °C at 760 mmHg
Flash Point:101.9 °C
PSA：26.30000
Density:1.221 g/cm³
LogP:2.89330
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:236.04119
Heavy Atom Count:12
Complexity:126

Purity/Quality:

99% ^*data from raw suppliers

METHYL 2-BROMOOCTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R36/38:Irritating to eyes and skin.;
Hazard Codes:R36/38:Irritating to eyes and skin.;
Statements: R36/38:Irritating to eyes and skin.;
Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC(C(=O)OC)Br

Technology Process of Methyl 2-bromooctanoate

There total 15 articles about Methyl 2-bromooctanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

: 67-56-1
methanol

: 2623-82-7,70610-87-6
2-bromooctanoic acid

: 5445-22-7
methyl 2-bromooctanoate

Guidance literature:: With hydrogenchloride; at 50 ℃; for 18h;

Reference yield: 70.0%

: 67-56-1
methanol

: 124-13-0
Octanal

: 111-11-5
methyl octanate

: 5445-22-7
methyl 2-bromooctanoate

Guidance literature:: Octanal; With ammonium cerium (IV) nitrate; lithium bromide; In neat liquid;

methanol; In neat liquid; at 35 - 40 ℃; for 3.5h;
DOI:10.1016/j.tetlet.2016.12.036